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ScientificNameLabel
Curcuphenol
PHCD compound ID : 2946
Chemical Names :
Curcuphenol
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: 2-[(1R)-1,5-dimethylhex-4-enyl]-5-methyl-phenol , 5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]phenol
Smiles: CC(=CCC[C@H](c1ccc(cc1O)C)C)C
InChi : InChI=1S/C15H22O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,8-10,13,16H,5,7H2,1-4H3/t13-/m1/s1
InChi Key : InChIKey=BTXSROVNGICYFE-CYBMUJFWSA-N
PubChem ID : 360253
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.784402
Hydrogen bond donor count : 1 Electric dipole moment : 1.843
XLogP : 4.414 VDW volume : 242.984161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.087000
Herb list :
Refrences & Litretures:
  
372.      Journal:'Food and Chemical Toxicology'      Year:'2010'      Volume:'48'      Page:'1026'      DOI:'10.1016/j.fct.2010.01.015'      Title:'Comparative study of chemical composition and antioxidant activity of fresh and dry rhizomes of turmeric (Curcuma longa Linn.)'
374.      Journal:'J. Essent. Oil Res'      Year:'1997'      Volume:'9'      Page:'589'      DOI:'10.1080/10412905.1997.9700783'      Title:'Essential Oils of Curcuma longa L. from Bhutan'
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